6,6-dimethyl-3-(2-methylbutylsulfanyl)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-(2-methylbutylsulfanyl)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-(2-methylbutylsulfanyl)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-(2-methylbutylthio)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-(2-methylbutylsulfanyl)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-(2-methylbutylthio)-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C18H24N2OS2 MolecularWeight: 348.52596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CSC1=C2C(=C(S1)C3=CC=NN3)CC(CC2=O)(C)C

Isomeric SMILES

CCC(C)CSC1=C2C(=C(S1)C3=CC=NN3)CC(CC2=O)(C)C

InChI

InChI=1S/C18H24N2OS2/c1-5-11(2)10-22-17-15-12(8-18(3,4)9-14(15)21)16(23-17)13-6-7-19-20-13/h6-7,11H,5,8-10H2,1-4H3,(H,19,20)